(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol

C7H11NO — CID 144880651

IUPAC(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=N\C)CO
InChIInChI=1S/C7H11NO/c1-3-4-7(6-9)5-8-2/h3-5,9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyDOAGGRXJFUETHN-NSLJXJERSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds3

About (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol

(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol (PubChem CID 144880651) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
PubChem CID144880651
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=N\C)CO
InChIInChI=1S/C7H11NO/c1-3-4-7(6-9)5-8-2/h3-5,9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyDOAGGRXJFUETHN-NSLJXJERSA-N
XLogP0.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(methyliminomethyl)pent-2-en-1-ol
CID 89029220
(E)-2-(methyliminomethyl)but-2-en-1-ol
CID 89088085
(E)-2-methanimidoylbut-2-en-1-ol
CID 91561124
2-Methanimidoylbut-2-en-1-ol
CID 123586613
2-Methyl-5-(methylideneamino)penta-2,4-dien-1-ol
CID 123995073
(3E)-3-(methyliminomethyl)hexa-3,5-dien-2-ol
CID 143071584
2H-azepin-6-ylmethanol
CID 143713152
(E)-2-ethenyl-4-methyliminobut-2-en-1-ol
CID 144667010
ethane;(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol
CID 144983909
2-(Methyliminomethyl)prop-2-en-1-ol
CID 147655350
2H-pyrrol-4-ylmethanol
CID 154287771
(E)-2-methyl-4-methyliminobut-2-en-1-ol
CID 155040562

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol (CID 144880651) is (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol is C=C/C=C(\C=N\C)CO.
What is the InChIKey of (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol?
The InChIKey is DOAGGRXJFUETHN-NSLJXJERSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-7(6-9)5-8-2/h3-5,9H,1,6H2,2H3/b7-4+,8-5+.
What are the key properties of (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol?
(2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methyliminomethyl)penta-2,4-dien-1-ol is sourced from PubChem (CID 144880651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).